3-(4-phenylmethoxyphenyl)propane-1,2-diol

C16H18O3 — CID 19868595

IUPAC3-(4-phenylmethoxyphenyl)propane-1,2-diol
SMILESOCC(O)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H18O3/c17-11-15(18)10-13-6-8-16(9-7-13)19-12-14-4-2-1-3-5-14/h1-9,15,17-18H,10-12H2
InChIKeyVHBLTJCTZBSWQK-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.16
Rot. Bonds6

About 3-(4-phenylmethoxyphenyl)propane-1,2-diol

3-(4-phenylmethoxyphenyl)propane-1,2-diol (PubChem CID 19868595) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(4-phenylmethoxyphenyl)propane-1,2-diol.

Molecular Properties

Compound Name3-(4-phenylmethoxyphenyl)propane-1,2-diol
PubChem CID19868595
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name3-(4-phenylmethoxyphenyl)propane-1,2-diol
SMILESOCC(O)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H18O3/c17-11-15(18)10-13-6-8-16(9-7-13)19-12-14-4-2-1-3-5-14/h1-9,15,17-18H,10-12H2
InChIKeyVHBLTJCTZBSWQK-UHFFFAOYSA-N
XLogP2.16
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol
CID 3030941
(2S)-2-amino-3-(4-phenylmethoxyphenyl)propane-1,1-diol
CID 130242612
(2S)-3-(4-phenylmethoxyanilino)propane-1,2-diol
CID 13273040
(1R)-1-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 71416199
1-[4-(4-phenylmethoxyphenyl)phenyl]propan-2-ol
CID 18927881
(2R)-2-phenylmethoxy-3-(4-phenylmethoxyphenyl)propanoic acid
CID 122390059
2,3-dihydroxypropyl 4-phenylmethoxybenzoate
CID 71423626
(2R)-3-(3-phenylmethoxyphenoxy)propane-1,2-diol
CID 129362160
3-[(4-phenylmethoxyphenyl)methyl]pentane-2,4-dione
CID 10017465
methyl 2-hydroxy-3-(4-phenylmethoxyphenyl)propanoate
CID 10493427
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
1-(2-phenoxypropyl)-4-phenylmethoxybenzene
CID 150936303

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylmethoxyphenyl)propane-1,2-diol?
The IUPAC name of 3-(4-phenylmethoxyphenyl)propane-1,2-diol (CID 19868595) is 3-(4-phenylmethoxyphenyl)propane-1,2-diol.
What is the SMILES notation for 3-(4-phenylmethoxyphenyl)propane-1,2-diol?
The canonical SMILES for 3-(4-phenylmethoxyphenyl)propane-1,2-diol is OCC(O)Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3-(4-phenylmethoxyphenyl)propane-1,2-diol?
The InChIKey is VHBLTJCTZBSWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c17-11-15(18)10-13-6-8-16(9-7-13)19-12-14-4-2-1-3-5-14/h1-9,15,17-18H,10-12H2.
What are the key properties of 3-(4-phenylmethoxyphenyl)propane-1,2-diol?
3-(4-phenylmethoxyphenyl)propane-1,2-diol has a molecular weight of 258.32 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylmethoxyphenyl)propane-1,2-diol is sourced from PubChem (CID 19868595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).